1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: 1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]piperidine-4-carboxamide Openeye Name: 1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]piperidine-4-carboxamide CAS Name: 1-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]piperidine-4-carboxamide Traditional Name: 1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]isonipecotamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H23N5O2S/c1-12-15(17(25)23(21(12)2)14-6-4-3-5-7-14)20-18(26)22-10-8-13(9-11-22)16(19)24/h3-7,13H,8-11H2,1-2H3,(H2,19,24)(H,20,26)